The important spectral details of an organic molecule having a molecul

Question

The important spectral details of an organic molecule having a molecular formula C5H10O are as follows:

Mass: (Prominent peaks at m/z 41, 43 (base peak); and 86 (M+)
IR : (2937 cm-1 (medium); 1718 cm-1 (strong); 1428 cm-1 (medium); and 1254 cm-1 (medium))
NMR: (= 1.11 (6H, doublet);  = 2.14 (3H, singlet) and  = 2.58 (1H, multiplet)
Determine the structure of the organic molecule.

26 Apr 2023

Answer :

Word Count : 819

To determine the structure of the organic molecule with the molecular formula C5H10O, we can analyze the provided spectral details, including mass spectrometry (MS), infrared spectroscopy (IR), and nuclear magnetic resonance (NMR) data.

1. Mass Spectrometry (MS):
The prominent peaks in the mass spectrum are m/z 41, 43 (base peak), and 86 (M+). These peaks indicate the presence of specific fragments and the molecular ion.

- m/z 41: This peak suggests the presence of a methyl (CH3) group.
- m/z 43: This peak indicates the presence of another fragment, such as a carbonyl group (C=O).
- m/z 86 (M+): This peak represents the molecular ion, which indicates the total molecular weight of the compound.

Based on the mass spectrometry data, we can infer that the molecule contains a methyl group (CH3), a carbonyl group (C=O), and has a molecular weight of 86.

2. Infrared Spectroscopy (IR):
The IR spectrum provides information about the functional groups present in the molecule based on the characteristic absorption peaks.

- 2937 cm-1 (medium): This absorption peak corresponds to the C-H stretching vibrations of aliphatic (saturated) hydrocarbons, indicating the presence of C-H bonds in the molecule.
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